2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid

C15H19N3O4S — CID 91646205

IUPAC2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid
SMILESCc1cc(C)c(C(=O)O)c(NS(=O)(=O)c2cn(C(C)C)cn2)c1
InChIInChI=1S/C15H19N3O4S/c1-9(2)18-7-13(16-8-18)23(21,22)17-12-6-10(3)5-11(4)14(12)15(19)20/h5-9,17H,1-4H3,(H,19,20)
InChIKeySQDOVLCJXWQFCJ-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.58
Rot. Bonds5

About 2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid

2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid (PubChem CID 91646205) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid
PubChem CID91646205
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid
SMILESCc1cc(C)c(C(=O)O)c(NS(=O)(=O)c2cn(C(C)C)cn2)c1
InChIInChI=1S/C15H19N3O4S/c1-9(2)18-7-13(16-8-18)23(21,22)17-12-6-10(3)5-11(4)14(12)15(19)20/h5-9,17H,1-4H3,(H,19,20)
InChIKeySQDOVLCJXWQFCJ-UHFFFAOYSA-N
XLogP2.58
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid (CID 91646205) is 2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid is Cc1cc(C)c(C(=O)O)c(NS(=O)(=O)c2cn(C(C)C)cn2)c1.
What is the InChIKey of 2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid?
The InChIKey is SQDOVLCJXWQFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-9(2)18-7-13(16-8-18)23(21,22)17-12-6-10(3)5-11(4)14(12)15(19)20/h5-9,17H,1-4H3,(H,19,20).
What are the key properties of 2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid?
2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid has a molecular weight of 337.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 91646205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).